Results 241 to 250 of about 1,205,678 (309)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Ensuring end-to-end privacy in IoT-based healthcare systems through hyperledger fabric and identity mixer. [PDF]

PLoS One
Nasr Esfahani M, Shahgholi Ghahfarokhi B, Etemadi Borujeni S.   +2 more
europepmc   +1 more source

LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models

Advanced Functional Materials, EarlyView.
This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran, Diane C.A. Lima, Linda Sandblad, Madeleine Ramstedt, Thereza A. Soares, Stefan Salentinig   +5 more
wiley   +1 more source

MetScribeR: A Semiautomated Tool for Data Processing of In-House LC-MS Metabolite Reference Libraries. [PDF]

J Proteome Res
Tisch AM, Inman JM, Mathé EA, Bennouna D.   +3 more
europepmc   +1 more source

Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel

Advanced Functional Materials, EarlyView.
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar, Xuen J Ng, Lukas Lechel, Ashish Chand Rajwar, Hendrik Bargel, Abhishek A. Jalan   +5 more
wiley   +1 more source

Comprehensive Open-Source Ecosystem for Raman and SERS Spectroscopy: Introducing SpectraGuru. [PDF]

Anal Chem
Ma F, Cui J, Kumar A, Yang Y, Chen X, Zhao Y.   +5 more
europepmc   +1 more source

Design and evaluation of a mobile application for educational purposes and facilitating scientific literature search for students and researchers. [PDF]

BMC Med Educ
Nikukaran J, Fallahzadeh A, Hazhir S, Hami A, Fatemi Aghda SA.   +4 more
europepmc   +1 more source

BioMutation: a portable graphical user interface for mutagenesis and feature analysis in proteins, nucleic acids, and their complexes. [PDF]

Front Genet
Gupta T, Pant P.
europepmc   +1 more source

A bimodal longitudinal investigation on changes in sentiments over social media interactions owing to COVID-19 pandemic. [PDF]

Sci Rep
Anik MSH, Rabi N, Eliza IJ, Hisham MHH, Akil A, Turza AM, Feroz F, Morshed F, Sakib N, Noor J, Chellappan S, Islam ABMAA.   +11 more
europepmc   +1 more source